Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | USP2 | O75604 | 2/20 | 0.54 |
| ▸ | CASP1 | P29466 | 2/20 | 0.54 |
| ▸ | CASP7 | P55210 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6016473 | 0.85 | ALDH1A1 (0.57) | ALDH1A1KDM4EMEN1KMT2AUSP2 | |
| SCHEMBL6016426 | 0.82 | PTPN11 (0.53) | ALDH1A1KDM4EMEN1KMT2ACASP1 | |
| Hydrochloric Acid SCHEMBL3866277 | 0.81 | PTPN11 (0.52) | ALDH1A1KDM4EMEN1KMT2ACASP1 | |
| SCHEMBL6016519 | 0.80 | PTPN11 (0.57) | ALDH1A1KDM4EMEN1KMT2AUSP2 | |
| SCHEMBL6016398 | 0.80 | ALDH1A1 (0.55) | ALDH1A1KDM4EMEN1KMT2AUSP2 | |
| SCHEMBL4112958 | 0.75 | ALDH1A1 (0.53) | ALDH1A1KDM4EKMT2AUSP2CASP1 | |
| SCHEMBL11159169 | 0.73 | MEN1 (0.60) | ALDH1A1KDM4EMEN1KMT2AUSP2 | |
| SCHEMBL6016324 | 0.72 | CHRM5 (0.46) | ALDH1A1KDM4EMEN1KMT2AMAPT | |
| SCHEMBL6016377 | 0.72 | PTPN11 (0.47) | ALDH1A1MEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL6016374 | 0.72 | PTPN11 (0.47) | ALDH1A1MEN1KMT2AMAPTSMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1187815-B1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-02-08 | — | — | EP | disclosed |
| CN-1166643-C | 4-phenyl-pyrimidine derivatives | - | 2004-09-15 | — | — | CN | disclosed |
| CN-1353697-A | 4-phenyl-pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2002-06-12 | — | — | CN | disclosed |
| EP-1187815-A1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | EP | disclosed |
| US-6274588-B1 | NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS | HOFFMANN-LA ROCHE INC. | 2001-08-14 | — | — | US | disclosed |
| WO-2000073279-A1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | disclosed |